Structure of PDB 6kli Chain A Binding Site BS05

Receptor Information
>6kli Chain A (length=547) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THYDFVITETKVTRLCHEKTILAVNGQFPGPTIYARKDDVVIVNVYNQGY
KNITLHWHGVDQPRNPWSDGPEYITQCPIQPGANFTYKIIFTEEEGTLWW
HAHSEFDRATVHGAIVIHPKRGTVYPYPKPHKEMPIILGEWWNADVEQIL
LESQRTGGDVNISDANTINGQPGDFAPCSKEDTFKMSVEHGKTYLLRVIN
AGLTNEMFFAVAGHRLTVVGTDGRYLRPFTVDYILISPGQTMNMLLEANC
ATDGSANSRYYMAARPFFTNTAVNVDDKNTTAIVEYTDAPPSASAGPPDS
PDLPAMDDIAAATAYTAQLRSLVTKEHPIDVPMEVDEHMLVTISVNTIPC
EPNKTCAGPGNNRLAASLNNVSFMNPTIDILDAYYDSISGVYEPDFPNKP
PFFFNFTAPNPPQDLWFTKRGTKVKVVEYGTILEVVFQDTAILGAESHPM
HLHGFSFYVVGRGFGNFDKDKDPATYNLVDPPYQNTVSVPTGGWAAMRFR
AANPGVWFMHCHFDRHTVWGMDTVFIVKNGKGPDAQMMPRPPNMPKC
Ligand information
Ligand ID55B
InChIInChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
InChIKeyLZFOPEXOUVTGJS-ONEGZZNKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2COc1cc(cc(c1O)OC)/C=C/CO
CACTVS 3.385COc1cc(\C=C\CO)cc(OC)c1O
ACDLabs 12.01COc1cc(cc(c1O)OC)\C=C\CO
OpenEye OEToolkits 1.9.2COc1cc(cc(c1O)OC)C=CCO
CACTVS 3.385COc1cc(C=CCO)cc(OC)c1O
FormulaC11 H14 O4
Name4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol;
Sinapyl alcohol;
sinapoyl alcohol
ChEMBLCHEMBL1800816
DrugBank
ZINCZINC000012418399
PDB chain6kli Chain A Residue 615 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kli Structural basis for monolignol oxidation by a maize laccase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D162 V348 P362 L446 G447 E449 R518 H519
Binding residue
(residue number reindexed from 1)		D159 V345 P359 L443 G444 E446 R515 H516
Annotation score1
Enzymatic activity
Enzyme Commision number 1.10.3.2: laccase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0052716 hydroquinone:oxygen oxidoreductase activity
Biological Process
GO:0046274 lignin catabolic process
Cellular Component
GO:0048046 apoplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6kli, PDBe:6kli, PDBj:6kli
PDBsum6kli
PubMed32123349
UniProtQ2PAJ1

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